N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide

C17H15Cl3N2O2 — CID 54816702

IUPACN-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl3N2O2/c1-2-7-24-12-5-3-11(4-6-12)22-17(23)10-21-16-9-14(19)13(18)8-15(16)20/h2-6,8-9,21H,1,7,10H2,(H,22,23)
InChIKeyNVCZYDSSKDSDTP-UHFFFAOYSA-N
MW385.68 g/mol
LogP5.26
Rot. Bonds7

About N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide

N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide (PubChem CID 54816702) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound NameN-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
PubChem CID54816702
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC NameN-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl3N2O2/c1-2-7-24-12-5-3-11(4-6-12)22-17(23)10-21-16-9-14(19)13(18)8-15(16)20/h2-6,8-9,21H,1,7,10H2,(H,22,23)
InChIKeyNVCZYDSSKDSDTP-UHFFFAOYSA-N
XLogP5.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816512
N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide
CID 54816614
N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821175
N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821441
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
CID 54825856
2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
CID 23624716
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821614

Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The IUPAC name of N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide (CID 54816702) is N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The canonical SMILES for N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide is C=CCOc1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
The InChIKey is NVCZYDSSKDSDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c1-2-7-24-12-5-3-11(4-6-12)22-17(23)10-21-16-9-14(19)13(18)8-15(16)20/h2-6,8-9,21H,1,7,10H2,(H,22,23).
What are the key properties of N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide?
N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide has a molecular weight of 385.68 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 54816702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).